2-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine

C12H14BrN3 — CID 82489288

IUPAC2-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine
SMILESCc1[nH]c(CCN)nc1-c1cccc(Br)c1
InChIInChI=1S/C12H14BrN3/c1-8-12(16-11(15-8)5-6-14)9-3-2-4-10(13)7-9/h2-4,7H,5-6,14H2,1H3,(H,15,16)
InChIKeyYESGBVSGLGHQKT-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.65
Rot. Bonds3

About 2-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine

2-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine (PubChem CID 82489288) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 2-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine
PubChem CID82489288
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name2-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine
SMILESCc1[nH]c(CCN)nc1-c1cccc(Br)c1
InChIInChI=1S/C12H14BrN3/c1-8-12(16-11(15-8)5-6-14)9-3-2-4-10(13)7-9/h2-4,7H,5-6,14H2,1H3,(H,15,16)
InChIKeyYESGBVSGLGHQKT-UHFFFAOYSA-N
XLogP2.65
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 114079195
3-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 43650829
4-[2-(2-aminoethyl)-5-methyl-1H-imidazol-4-yl]phenol
CID 105471255
5-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine
CID 43651177
(5-methyl-4-phenyl-1H-imidazol-2-yl)methanamine
CID 43649240
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]ethanamine
CID 112585736
2-[5-methyl-4-(2-methyl-5-propan-2-ylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82483196
2-(3-bromophenyl)-4,5-dimethyl-1H-imidazole
CID 82481071
2-[4-(3-bromophenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
CID 114079045
[4-(3-bromophenyl)thiadiazol-5-yl]methanamine
CID 65209053
4-(3-bromophenyl)-2-methyl-1H-imidazole-5-carboxylic acid
CID 82307284
5-methyl-4-phenyl-2-(5-phenylpentyl)-1H-imidazole
CID 139695615

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine (CID 82489288) is 2-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine is Cc1[nH]c(CCN)nc1-c1cccc(Br)c1.
What is the InChIKey of 2-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine?
The InChIKey is YESGBVSGLGHQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-8-12(16-11(15-8)5-6-14)9-3-2-4-10(13)7-9/h2-4,7H,5-6,14H2,1H3,(H,15,16).
What are the key properties of 2-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine?
2-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine has a molecular weight of 280.17 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-bromophenyl)-5-methyl-1H-imidazol-2-yl]ethanamine is sourced from PubChem (CID 82489288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).